2-[[3-(difluoromethoxy)phenyl]sulfinylmethyl]-3,4-dimethoxypyridine

C15H15F2NO4S — CID 141159713

IUPAC2-[[3-(difluoromethoxy)phenyl]sulfinylmethyl]-3,4-dimethoxypyridine
SMILESCOc1ccnc(CS(=O)c2cccc(OC(F)F)c2)c1OC
InChIInChI=1S/C15H15F2NO4S/c1-20-13-6-7-18-12(14(13)21-2)9-23(19)11-5-3-4-10(8-11)22-15(16)17/h3-8,15H,9H2,1-2H3
InChIKeyMMGCSVUOGAVELI-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.01
Rot. Bonds7

About 2-[[3-(difluoromethoxy)phenyl]sulfinylmethyl]-3,4-dimethoxypyridine

2-[[3-(difluoromethoxy)phenyl]sulfinylmethyl]-3,4-dimethoxypyridine (PubChem CID 141159713) has the molecular formula C15H15F2NO4S and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-[[3-(difluoromethoxy)phenyl]sulfinylmethyl]-3,4-dimethoxypyridine.

Molecular Properties

Compound Name2-[[3-(difluoromethoxy)phenyl]sulfinylmethyl]-3,4-dimethoxypyridine
PubChem CID141159713
Molecular FormulaC15H15F2NO4S
Molecular Weight343.35 g/mol
Exact Mass343.07
IUPAC Name2-[[3-(difluoromethoxy)phenyl]sulfinylmethyl]-3,4-dimethoxypyridine
SMILESCOc1ccnc(CS(=O)c2cccc(OC(F)F)c2)c1OC
InChIInChI=1S/C15H15F2NO4S/c1-20-13-6-7-18-12(14(13)21-2)9-23(19)11-5-3-4-10(8-11)22-15(16)17/h3-8,15H,9H2,1-2H3
InChIKeyMMGCSVUOGAVELI-UHFFFAOYSA-N
XLogP3.01
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
CID 155526171
3-fluoro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
CID 155556547
3-fluoro-2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine
CID 155526306
2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
CID 155543675
4,5-Dimethoxy-2-(methylsulfanylmethyl)pyridine
CID 56666339
3,4-Dimethoxy-2-(methylsulfanylmethyl)pyridine
CID 56679900
2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine
CID 155511967
2-[(3-Methoxyphenyl)sulfanylmethyl]pyridine;hydrochloride
CID 13058715
2-(Benzhydrylsulfinylmethyl)-3,4-dimethoxypyridine
CID 137654081
N-[4-methylsulfanyl-2-(trifluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 19844867
3-Methoxy-2-(thiophen-2-ylsulfanylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine
CID 57111742
3-(Difluoromethoxy)-2-(methylsulfonylmethyl)pyridine
CID 67384844

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(difluoromethoxy)phenyl]sulfinylmethyl]-3,4-dimethoxypyridine?
The IUPAC name of 2-[[3-(difluoromethoxy)phenyl]sulfinylmethyl]-3,4-dimethoxypyridine (CID 141159713) is 2-[[3-(difluoromethoxy)phenyl]sulfinylmethyl]-3,4-dimethoxypyridine.
What is the SMILES notation for 2-[[3-(difluoromethoxy)phenyl]sulfinylmethyl]-3,4-dimethoxypyridine?
The canonical SMILES for 2-[[3-(difluoromethoxy)phenyl]sulfinylmethyl]-3,4-dimethoxypyridine is COc1ccnc(CS(=O)c2cccc(OC(F)F)c2)c1OC.
What is the InChIKey of 2-[[3-(difluoromethoxy)phenyl]sulfinylmethyl]-3,4-dimethoxypyridine?
The InChIKey is MMGCSVUOGAVELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO4S/c1-20-13-6-7-18-12(14(13)21-2)9-23(19)11-5-3-4-10(8-11)22-15(16)17/h3-8,15H,9H2,1-2H3.
What are the key properties of 2-[[3-(difluoromethoxy)phenyl]sulfinylmethyl]-3,4-dimethoxypyridine?
2-[[3-(difluoromethoxy)phenyl]sulfinylmethyl]-3,4-dimethoxypyridine has a molecular weight of 343.35 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(difluoromethoxy)phenyl]sulfinylmethyl]-3,4-dimethoxypyridine is sourced from PubChem (CID 141159713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).